5-bromo-2-(cyclobutylmethyl)-4-[(2,3-dimethylcyclopentyl)amino]pyridazin-3-one

C16H24BrN3O — CID 114439122

IUPAC5-bromo-2-(cyclobutylmethyl)-4-[(2,3-dimethylcyclopentyl)amino]pyridazin-3-one
SMILESCC1CCC(Nc2c(Br)cnn(CC3CCC3)c2=O)C1C
InChIInChI=1S/C16H24BrN3O/c1-10-6-7-14(11(10)2)19-15-13(17)8-18-20(16(15)21)9-12-4-3-5-12/h8,10-12,14,19H,3-7,9H2,1-2H3
InChIKeyFVMPXORXIWKEPO-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.65
Rot. Bonds4

About 5-bromo-2-(cyclobutylmethyl)-4-[(2,3-dimethylcyclopentyl)amino]pyridazin-3-one

5-bromo-2-(cyclobutylmethyl)-4-[(2,3-dimethylcyclopentyl)amino]pyridazin-3-one (PubChem CID 114439122) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is 5-bromo-2-(cyclobutylmethyl)-4-[(2,3-dimethylcyclopentyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name5-bromo-2-(cyclobutylmethyl)-4-[(2,3-dimethylcyclopentyl)amino]pyridazin-3-one
PubChem CID114439122
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name5-bromo-2-(cyclobutylmethyl)-4-[(2,3-dimethylcyclopentyl)amino]pyridazin-3-one
SMILESCC1CCC(Nc2c(Br)cnn(CC3CCC3)c2=O)C1C
InChIInChI=1S/C16H24BrN3O/c1-10-6-7-14(11(10)2)19-15-13(17)8-18-20(16(15)21)9-12-4-3-5-12/h8,10-12,14,19H,3-7,9H2,1-2H3
InChIKeyFVMPXORXIWKEPO-UHFFFAOYSA-N
XLogP3.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(cyclobutylmethyl)-4-[(3-methylcyclobutyl)amino]pyridazin-3-one
CID 114442063
5-bromo-2-(cyclobutylmethyl)-4-(cyclopent-3-en-1-ylamino)pyridazin-3-one
CID 114442191
4-[(4-aminocyclohexyl)amino]-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one
CID 114446215
5-bromo-2-(cyclobutylmethyl)-4-(2-methylsulfinylethylamino)pyridazin-3-one
CID 114442342
5-bromo-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one
CID 114435317
5-bromo-2-(cyclobutylmethyl)-4-(3-ethylpentan-2-ylamino)pyridazin-3-one
CID 114438171
5-bromo-2-(cyclobutylmethyl)-4-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one
CID 114446713
4-[(1-amino-3-methylbutan-2-yl)amino]-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one
CID 114445723
5-bromo-2-(cyclobutylmethyl)-4-[(3-methyloxolan-3-yl)amino]pyridazin-3-one
CID 114442451
5-bromo-2-(cyclobutylmethyl)-4-(2-methylsulfinylpropylamino)pyridazin-3-one
CID 114442472
5-bromo-2-(cyclobutylmethyl)-4-(hexan-2-ylamino)pyridazin-3-one
CID 114436910
4-[(1-amino-4-methylpentan-2-yl)amino]-5-bromo-2-(cyclobutylmethyl)pyridazin-3-one
CID 114445272

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(cyclobutylmethyl)-4-[(2,3-dimethylcyclopentyl)amino]pyridazin-3-one?
The IUPAC name of 5-bromo-2-(cyclobutylmethyl)-4-[(2,3-dimethylcyclopentyl)amino]pyridazin-3-one (CID 114439122) is 5-bromo-2-(cyclobutylmethyl)-4-[(2,3-dimethylcyclopentyl)amino]pyridazin-3-one.
What is the SMILES notation for 5-bromo-2-(cyclobutylmethyl)-4-[(2,3-dimethylcyclopentyl)amino]pyridazin-3-one?
The canonical SMILES for 5-bromo-2-(cyclobutylmethyl)-4-[(2,3-dimethylcyclopentyl)amino]pyridazin-3-one is CC1CCC(Nc2c(Br)cnn(CC3CCC3)c2=O)C1C.
What is the InChIKey of 5-bromo-2-(cyclobutylmethyl)-4-[(2,3-dimethylcyclopentyl)amino]pyridazin-3-one?
The InChIKey is FVMPXORXIWKEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-10-6-7-14(11(10)2)19-15-13(17)8-18-20(16(15)21)9-12-4-3-5-12/h8,10-12,14,19H,3-7,9H2,1-2H3.
What are the key properties of 5-bromo-2-(cyclobutylmethyl)-4-[(2,3-dimethylcyclopentyl)amino]pyridazin-3-one?
5-bromo-2-(cyclobutylmethyl)-4-[(2,3-dimethylcyclopentyl)amino]pyridazin-3-one has a molecular weight of 354.29 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(cyclobutylmethyl)-4-[(2,3-dimethylcyclopentyl)amino]pyridazin-3-one is sourced from PubChem (CID 114439122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).